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Trimethyl(pentadecyloxy)silane
CCCCCCCCCCCCCCCO[Si](C)(C)C
InChI=1S/C18H40OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-18H2,1-4H3
RKGZKYJCMGEFNK-UHFFFAOYSA-N
CSID:455339, http://www.chemspider.com/Chemical-Structure.455339.html (accessed 04:29, Apr 26, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 8.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 321.33 (Adapted Stein & Brown method) Melting Pt (deg C): 61.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000284 (Modified Grain method) Subcooled liquid VP: 0.000624 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0004378 log Kow used: 8.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.015793 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.55E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.566E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.72 (KowWin est) Log Kaw used: 1.544 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.176 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7129 Biowin2 (Non-Linear Model) : 0.6419 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8332 (weeks ) Biowin4 (Primary Survey Model) : 3.6831 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5113 Biowin6 (MITI Non-Linear Model): 0.4846 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5639 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0832 Pa (0.000624 mm Hg) Log Koa (Koawin est ): 7.176 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.61E-005 Octanol/air (Koa) model: 3.68E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0013 Mackay model : 0.00288 Octanol/air (Koa) model: 0.000294 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.3371 E-12 cm3/molecule-sec Half-Life = 0.377 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.529 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00209 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.093E+005 Log Koc: 5.707 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.958 (BCF = 9.072) log Kow used: 8.72 (estimated) Volatilization from Water: Henry LC: 0.855 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.77 hours Half-Life from Model Lake : 164.7 hours (6.862 days) Removal In Wastewater Treatment: Total removal: 94.21 percent Total biodegradation: 0.76 percent Total sludge adsorption: 92.27 percent Total to Air: 1.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.311 9.06 1000 Water 3.75 360 1000 Soil 27.9 720 1000 Sediment 68 3.24e+003 0 Persistence Time: 1.24e+003 hr
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